2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine

C23H28N4O — CID 112901232

IUPAC2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C23H28N4O/c1-3-16-27(17-4-2)22-14-15-24-23(26-22)25-20-10-12-21(13-11-20)28-18-19-8-6-5-7-9-19/h5-15H,3-4,16-18H2,1-2H3,(H,24,25,26)
InChIKeyPQXOMNNUZGOSBQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.43
Rot. Bonds10

About 2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine

2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112901232) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID112901232
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C23H28N4O/c1-3-16-27(17-4-2)22-14-15-24-23(26-22)25-20-10-12-21(13-11-20)28-18-19-8-6-5-7-9-19/h5-15H,3-4,16-18H2,1-2H3,(H,24,25,26)
InChIKeyPQXOMNNUZGOSBQ-UHFFFAOYSA-N
XLogP5.43
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901166
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901225
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884582
ethyl 4-[[4-(dipropylamino)pyrimidin-2-yl]amino]benzoate
CID 112901242
4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112901890
4-N-(2-methoxyphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112904554
4-N-[(2-methylphenyl)methyl]-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112889814
2-N-(1,3-benzodioxol-5-yl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901239
5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112949336
4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
CID 22496155
2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112926310

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine (CID 112901232) is 2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1ccnc(Nc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is PQXOMNNUZGOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-16-27(17-4-2)22-14-15-24-23(26-22)25-20-10-12-21(13-11-20)28-18-19-8-6-5-7-9-19/h5-15H,3-4,16-18H2,1-2H3,(H,24,25,26).
What are the key properties of 2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 376.50 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112901232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).